CLEAN - Clean-up program
------------------------
 


 Clean-up program CLEAN - Written by David Keith Smith, 1989.
                          Amended by Roman Laskowski, 1992.


 Enter filename containing coordinates of structure
   (for file containing ensemble of NMR structures enter @filename;
    for set of separate PDB files to be processed, enter %filelist,
    where filelist contains a list of PDB files to be cleaned up)

    Processing NMR model 1
 Chain break between    9 (M 431 ) and   10 (M 434 )
 Chain break between   85 (M 509 ) and   86 (M 511 )
 Chain break between  115 (M 540 ) and  116 (M 551 )
 Chain break between  192 (M 627 ) and  193 (M 629 )
 Average value of CA-N-C-CB angle is  34.91
 Standard deviation is                 0.96
 * Side chain atoms should be swapped for the following residues:
 * As this is an NMR ensemble the swap has not been made
 * ASP M 426  GLU M 457  TYR M 478  TYR M 484  GLU M 495  GLU M 496  GLU M 508     
 * TYR M 511  GLU M 528  ASP M 536  PHE M 553  TYR M 596  TYR M 602  GLU M 614     
 WARNING: Number of atoms/hetatms in new file differs from old file - 
           new number =  1782
           old number =     0
 * TYR M 629  GLU M 646  GLU M 660                                                 
 Total number of residues that need to be changed and total number of residues:
     ALA     0     6
     ASP     2    10
     GLU     8    23
     PHE     1     8
     GLY     0    16
     HIS     0     2
     ILE     0     8
     LYS     0    15
     LEU     0    17
     ASN     0    23
     PRO     0    10
     GLN     0     2
     ARG     0     4
     SER     0     7
     THR     0    24
     VAL     0    36
     TRP     0     4
     TYR     6     9

 * NMR ensemble comprises 1 model structures
 * Program completed